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1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-2-propanoic acid

1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-2-propanoic acid structure

CAS No:
109164-47-8
Formula:
C13H14N2O3S
Chemical Name:
1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-2-propanoic acid
Synonyms:
[1]Benzothieno[2,3-d]pyrimidine-2-propanoic acid,1,4,5,6,7,8-hexahydro-4-oxo-;1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-2-propanoic acid

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1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-2-propanoic acid Basic Attributes

Molecular Weight：

278.32700

Exact Mass：

278.33

DSSTox ID：

DTXSID30352246

HScode：

2934999090

Characteristics

PSA：

111.29000

XLogP3：

1.88060

Density：

1.61g/cm3

Boiling Point：

470.6ºC at 760 mmHg

Flash Point：

238.4ºC

Refractive Index：

1.766

Vapor Pressure：

1.16E-09mmHg at 25°C

Computed Properties

Molecular Weight:278.33
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:278.07251349
Monoisotopic Mass:278.07251349
Topological Polar Surface Area:107
Heavy Atom Count:19
Complexity:438
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-2-propanoic acid

Basic Attributes
Characteristics
Computed Properties
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